(E)-3-(4-ethyl-4-tridecylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-ethyl-4-tridecylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-ethyl-4-tridecylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-ethyl-4-(tridecylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-ethyl-4-tridecylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-ethyl-4-(tridecylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C30H44OS MolecularWeight: 452.73476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCSC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)CC

Isomeric SMILES

CCCCCCCCCCCCCSC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)CC

InChI

InChI=1S/C30H44OS/c1-3-5-6-7-8-9-10-11-12-13-17-26-32-30(4-2)24-22-27(23-25-30)20-21-29(31)28-18-15-14-16-19-28/h14-16,18-25,27H,3-13,17,26H2,1-2H3/b21-20+